3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol

C13H13BrFNOS — CID 65190748

IUPAC3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(F)c1)C(O)c1ccc(Br)s1
InChIInChI=1S/C13H13BrFNOS/c14-12-5-4-11(18-12)13(17)10(7-16)8-2-1-3-9(15)6-8/h1-6,10,13,17H,7,16H2
InChIKeyBTEFJXWGXMNRDZ-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.43
Rot. Bonds4

About 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol

3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol (PubChem CID 65190748) has the molecular formula C13H13BrFNOS and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol
PubChem CID65190748
Molecular FormulaC13H13BrFNOS
Molecular Weight330.22 g/mol
Exact Mass328.99
IUPAC Name3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol
SMILESNCC(c1cccc(F)c1)C(O)c1ccc(Br)s1
InChIInChI=1S/C13H13BrFNOS/c14-12-5-4-11(18-12)13(17)10(7-16)8-2-1-3-9(15)6-8/h1-6,10,13,17H,7,16H2
InChIKeyBTEFJXWGXMNRDZ-UHFFFAOYSA-N
XLogP3.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol (CID 65190748) is 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol is NCC(c1cccc(F)c1)C(O)c1ccc(Br)s1.
What is the InChIKey of 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol?
The InChIKey is BTEFJXWGXMNRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNOS/c14-12-5-4-11(18-12)13(17)10(7-16)8-2-1-3-9(15)6-8/h1-6,10,13,17H,7,16H2.
What are the key properties of 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol?
3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol has a molecular weight of 330.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65190748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).